Chemical Properties of (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-Ethyl-6-methylheptan-2-yl)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

InChI

InChI=1S/C30H52O/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31-7)15-17-29(23,5)28(25)16-18-30(26,27)6/h11,20-22,24-28H,8-10,12-19H2,1-7H3

InChI Key

LOUBEXGURAKLSL-UHFFFAOYSA-N

Formula

C30H52O

SMILES

CCC(CCC(C)C1CCC2C3CC=C4CC(OC)CCC4(C)C3CCC12C)C(C)C

Molecular Weight¹

428.74

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1467.42; 1673.61]	J/mol×K	[945.82; 1169.34]
Cp,gas	1467.42	J/mol×K	945.82	Joback Calculated Property
Cp,gas	1500.33	J/mol×K	983.07	Joback Calculated Property
Cp,gas	1533.39	J/mol×K	1020.33	Joback Calculated Property
Cp,gas	1566.94	J/mol×K	1057.58	Joback Calculated Property
Cp,gas	1601.27	J/mol×K	1094.83	Joback Calculated Property
Cp,gas	1636.72	J/mol×K	1132.09	Joback Calculated Property
Cp,gas	1673.61	J/mol×K	1169.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-Ethyl-6-methylheptan-2-yl)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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